Geometry & MOs

Info

ID:	202249
PubChem CID:	79646305
Reduced:	ClON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	316.139154
ΔH_f, kcal/mol:	-4.75
Dipole, Da:	2.42
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(propylamino)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC(C)(CN)CN(C)CC1=NC=C(O1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations